2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide

C22H24N2O2 — CID 10760156

IUPAC2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide
SMILESC=CCc1c(O)ccc2c1c(CC(N)=O)c(CC)n2Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-8-16-20(25)12-11-19-22(16)17(13-21(23)26)18(4-2)24(19)14-15-9-6-5-7-10-15/h3,5-7,9-12,25H,1,4,8,13-14H2,2H3,(H2,23,26)
InChIKeyIPCDPTGVOPTVSL-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.71
Rot. Bonds7

About 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide

2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide (PubChem CID 10760156) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide
PubChem CID10760156
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide
SMILESC=CCc1c(O)ccc2c1c(CC(N)=O)c(CC)n2Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-8-16-20(25)12-11-19-22(16)17(13-21(23)26)18(4-2)24(19)14-15-9-6-5-7-10-15/h3,5-7,9-12,25H,1,4,8,13-14H2,2H3,(H2,23,26)
InChIKeyIPCDPTGVOPTVSL-UHFFFAOYSA-N
XLogP3.71
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide (CID 10760156) is 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide is C=CCc1c(O)ccc2c1c(CC(N)=O)c(CC)n2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide?
The InChIKey is IPCDPTGVOPTVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-8-16-20(25)12-11-19-22(16)17(13-21(23)26)18(4-2)24(19)14-15-9-6-5-7-10-15/h3,5-7,9-12,25H,1,4,8,13-14H2,2H3,(H2,23,26).
What are the key properties of 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide?
2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethyl-5-hydroxy-4-prop-2-enylindol-3-yl)acetamide is sourced from PubChem (CID 10760156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).